General Information of the Compound
| Compound ID |
CP0552602
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| Compound Name |
4-(3-methoxypropyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Structure |
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| Formula |
C13H14N4O2S
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| Molecular Weight |
290.348
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| Canonical SMILES |
COCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C13H14N4O2S/c1-19-8-4-7-16-11(18)9-5-2-3-6-10(9)17-12(16)14-15-13(17)20/h2-3,5-6H,4,7-8H2,1H3,(H,15,20)
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| InChIKey |
FGOFGESTKFLRBZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound